SCHEMBL2930573

SCHEMBL2930573

c1ccc(CN2CCc3sccc3C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
SIGMAR1 Q99720 4/20 0.69
CYP2C19 P33261 2/20 0.69
ADRA2A P08913 2/20 0.69
ADRA2B P18089 2/20 0.69
DRD4 P21917 2/20 0.69
HTR2B P41595 2/20 0.69
USP2 O75604 1/20 0.69
ABCB11 O95342 1/20 0.69
LMNA P02545 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
ADRB3 P13945 1/20 0.69
ADRA2C P18825 1/20 0.69
CYP2B6 P20813 1/20 0.69
DRD1 P21728 1/20 0.69
TBXA2R P21731 1/20 0.69

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11182497 0.87 KDM4E (0.56) ALDH1A1SIGMAR1CYP2C19ADRA2AADRA2B
SCHEMBL10623002 0.86 ALDH1A1 (0.63) ALDH1A1SIGMAR1CYP2C19ADRA2AADRA2B
SCHEMBL8800836 0.86 ALDH1A1 (0.60) ALDH1A1SIGMAR1CYP2C19ADRA2AADRA2B
SCHEMBL10620994 0.84 SIGMAR1 (0.55) ALDH1A1SIGMAR1CYP2C19ADRA2AADRA2B
Hydrochloric Acid SCHEMBL11246914 0.84 KDM4E (0.64) ALDH1A1SIGMAR1CYP2C19ADRA2AADRA2B
SCHEMBL10620988 0.84 CYP2C19 (0.62) ALDH1A1SIGMAR1CYP2C19ADRA2AADRA2B
SCHEMBL10623055 0.84 ALDH1A1 (0.58) ALDH1A1SIGMAR1CYP2C19ADRA2AADRA2B
SCHEMBL10621063 0.84 ALDH1A1 (0.58) ALDH1A1SIGMAR1CYP2C19ADRA2AADRA2B
Hydrochloric Acid SCHEMBL11704225 0.83 MAPK1 (0.59) ALDH1A1SIGMAR1CYP2C19ADRA2AADRA2B
Hydrochloric Acid SCHEMBL11704057 0.83 MAPK1 (0.59) ALDH1A1SIGMAR1CYP2C19ADRA2AADRA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63126883-A None JP disclosed
JP-63126882-A None JP disclosed
US-10919917-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-02-16 US disclosed
US-9169265-B2 Process for preparing pharmaceutical compounds and intermediate compounds EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2015-10-27 US disclosed
US-9169265-B2 Process for preparing pharmaceutical compounds and intermediate compounds EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2015-10-27 US disclosed
CN-103694251-A Novel preparation process of prasugrel hydrochloride NANJING JIANCHENG MEDICINE SCIENCE & TECHNOLOGY CO LTD 2014-04-02 CN disclosed
US-20130030183-A1 PROCESS FOR PREPARING A PHARMACEUTICAL COMPOUND EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2013-01-31 US disclosed
US-20130030183-A1 PROCESS FOR PREPARING A PHARMACEUTICAL COMPOUND EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2013-01-31 US disclosed
US-20120330018-A1 PROCESS FOR PREPARING PHARMACEUTICAL COMPOUNDS AND INTERMEDIATE COMPOUNDS EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2012-12-27 US disclosed
US-20120330018-A1 PROCESS FOR PREPARING PHARMACEUTICAL COMPOUNDS AND INTERMEDIATE COMPOUNDS EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2012-12-27 US disclosed
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 US disclosed
WO-2003093279-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS ß-LACTAMASES INHIBITORS WYETH (US) 2003-11-13 WO disclosed
WO-2003093277-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH (US) 2003-11-13 WO disclosed
US-4749692-A COMBINATION OF SULFINPYRAZONE AND PYRIDINE DERIVATIVE SANOFI, S.A. (FR) 1988-06-07 US disclosed
JP-S63126883-A 5-BENZYL-4,5,6,7-TETRAHYDRO-2H-THIENO(3,2-C)PYRIDIN-3-ONE DERIVATIVE AND PRODUCTION THEREOF ZOKI SEIKAGAKU KENKYUSHO:KK 1988-05-30 JP disclosed
JP-S63126882-A PRODUCTION OF 5-BENZYL-4,5,6,7-TETRAHYDROTHIENO(3,2-C)PYRIDINE DERIVATIVE ZOKI SEIKAGAKU KENKYUSHO:KK 1988-05-30 JP disclosed
US-4537894-A ADMINISTERING SULFINPYRAZONE AND PYRIDINE DERIVATIVE SANOFI, S.A. (FR) 1985-08-27 US disclosed
US-4515951-A OXIDATION OF BORONIC ACID DERIVATIVE, HYDROLYSIS SANOFI (FR) 1985-05-07 US disclosed
US-4464377-A SYNERGISTIS BETA-ADRENERGIC BLOCKERS AND TICLOPIDINE SANOFI-SYNTHELABO (FR) 1984-08-07 US disclosed
US-4193997-A ANTICOAGULANT, HTROMBOSIS, ANALGESICS, ANTIINFLAMMATORY PARCOR (FR) 1980-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130030183-A1 PROCESS FOR PREPARING A PHARMACEUTICAL COMPOUND CYP3A5, CYP2C19, CYP4B1 ALDH1A1 175/4885SIGMAR1 2240/4885CYP2C19 2/4885
US-20120330018-A1 PROCESS FOR PREPARING PHARMACEUTICAL COMPOUNDS AND INTERMEDIATE COMPOUNDS CYP3A5, CYP4B1, P2RY6 ALDH1A1 688/4885SIGMAR1 3875/4885CYP2C19 9/4885
US-10919917-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 ALDH1A1 1869/4885SIGMAR1 233/4885CYP2C19 2389/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 ALDH1A1 998/4885SIGMAR1 3564/4885CYP2C19 159/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.